Procysteine

HCID 72390CAS 19771-63-2

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Grundinformationen

Standard-SMILES: O=C1N[C@H](C(=O)O)CS1
InChIKey: BMLMGCPTLHPWPY-REOHCLBHSA-N
Summenformel: C4H5NO3S
Durchschnittliche Molmasse: 147,15 g/mol
Monoisotopische Masse: 146,99901402

Überblick

(4R)-2-oxo-4-thiazolidinecarboxylic acid is an organonitrogen compound and an organooxygen compound. It is functionally related to an alpha-amino acid.

Namen und Bezeichner

Bevorzugter Name: Procysteine
IUPAC: (4R)-2-oxo-1,3-thiazolidine-4-carboxylic acid
Englischer Name: Procysteine
Summenformel: C4H5NO3S
Molmasse: 147.15

Namen und Synonyme

Procysteine19771-63-2(R)-2-Oxothiazolidine-4-carboxylic acidoxothiazolidinecarboxylic acid(4R)-2-oxo-1,3-thiazolidine-4-carboxylic acidKoprosteineL-2-Oxothiazolidine-4-carboxylic acid4-Thiazolidinecarboxylic acid, 2-oxo-, (4R)-L-2-Oxo-4-thiazolidinecarboxylic acid4-Thiazolidinecarboxylic acid, 2-oxo-, L-(-)-2-Oxo-4-thiazolidinecarboxylic acidX7063P804E

Weitere Namen anzeigen

OTCOTZL-2-Thiazolidione-4-carboxylic acidH-L-OXOTHZ-OHProcysteine USP/EP/BPOxothiazolidine carboxylatel-4-thiazolidinecarboxylicaci

DTXSID5013182472-oxo-l-thiazolidine-4-carboxylic acid2-OXO-4-THIAZOLIDINECARBOXYLIC ACID, L-2-oxo-4-thiazolidine carboxylic acidRefChem:930008L-2-OTZD-4-CXADTXCID5017480342-Oxothiazolidine-4-carboxylic acid

Datenbank-Bezeichner

CAS: 19771-63-2
PubChem CID: 72390
DTXSID: DTXSID501318247
ChEMBL: CHEMBL442218
ChEBI: CHEBI:125673
UNII: X7063P804E
EC Number: 606-375-2
Nikkaji: J47.648J

Eigenschaften

Berechnete Struktureigenschaften

XLogP: -0,1
Polarare Oberfläche (TPSA): 91,7 Å²
H-Brücken-Donoren: 2
H-Brücken-Akzeptoren: 4
Frei drehbare Bindungen: 1
Schwere Atome: 9
Formalladung: 0
Komplexität: 158

Experimentelle und physikochemische Eigenschaften

DrugsPharmaceuticals -> Listed in ZINC15

Physikochemische Eigenschaften

Schmelzpunkt: 174 °C · 174 °C (dec.)(lit.)
Dichte: 1.582 · 1.582±0.06 g/cm3(Predicted)
Brechungsindex: -64 ° · -64 ° (C=1, H2O)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
Löslichkeit: DMSO (Slightly), Methanol (Slightly), Water (Slightly)
Aggregatzustand: Powder
pka: pKa (22°): 3.32
Farbe: White to Off-white
Wasserlöslichkeit: Soluble in water
Merck: 13 · 13,7019
BRN: 4179169 · 4179169
Kosmetik-Inhaltsstoffe Funktionen: SKIN CONDITIONING
InChI: InChI=1S/C4H5NO3S/c6-3(7)2-1-9-4(8)5-2/h2H,1H2,(H,5,8)(H,6,7)/t2-/m0/s1
InChIKey: BMLMGCPTLHPWPY-REOHCLBHSA-N
SMILES: S1C[C@@H](C(O)=O)NC1=O
CAS Datenbank: 19771 · 19771-63-2(CAS DataBase Reference)

Sicherheit und Regulatorisches

GHS-Klassifizierung

GHS Classification · 4 Einträge

Warning

H315 (97.4%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Gefahrenhinweise

Hazard Classes and CategoriesSkin Irrit. 2 (97.4%)

Sicherheitsdaten

wgk: 3
hs_code: 2934.20.8000
RTECS-Nr.: XJ5426650
risk_code: 36/37/38
hazard_code: Xi
safety_code: 26-36
Speicherklasse: 11 - Combustible Solids

Chemie und Industrie

Anwendungen

Verwenden(R)-(-)-2-Oxothiazolidine-4-carboxylic Acid or Procysteine is a precursor to glutathione (GSH) which is an important antioxidant in plants, animals and fungi.